1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C17H18BrNO2S — CID 4986555

IUPAC1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCCc1cc(Br)ccc1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H18BrNO2S/c1-3-13-11-15(18)8-9-17(13)22(20,21)19-12(2)10-14-6-4-5-7-16(14)19/h4-9,11-12H,3,10H2,1-2H3
InChIKeyVLQQLVVNDQSAAV-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.15
Rot. Bonds3

About 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 4986555) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID4986555
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC Name1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCCc1cc(Br)ccc1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H18BrNO2S/c1-3-13-11-15(18)8-9-17(13)22(20,21)19-12(2)10-14-6-4-5-7-16(14)19/h4-9,11-12H,3,10H2,1-2H3
InChIKeyVLQQLVVNDQSAAV-UHFFFAOYSA-N
XLogP4.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 9267432
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole
CID 53041587
[2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]hydrazine
CID 43454884
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4914481
(2R)-1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7314548
7-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 52528131

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 4986555) is 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is CCc1cc(Br)ccc1S(=O)(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is VLQQLVVNDQSAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c1-3-13-11-15(18)8-9-17(13)22(20,21)19-12(2)10-14-6-4-5-7-16(14)19/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 380.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 4986555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).